SCHEMBL3580290

SCHEMBL3580290

C#Cc1ccc2cccc(CNC(=O)N3Cc4ccccc4[C@H]3C(=O)NCc3cccnc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 3/20 0.41
FPR1 P21462 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
CFD P00746 1/20 0.38
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3579963 0.82 POLB (0.52) SMN1; SMN2CYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL3579267 0.82 CFD (0.41) CYP2C19CYP3A4CYP2C9CYP1A2ALDH1A1
SCHEMBL3575319 0.81 POLB (0.49) CYP2C19CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL3582860 0.81 CFD (0.41) SMN1; SMN2CYP2C19CYP2C9CYP1A2ALDH1A1
SCHEMBL3570922 0.81 CFD (0.41) SMN1; SMN2CYP2C19CYP2C9CYP1A2ALDH1A1
SCHEMBL3579831 0.79 CFD (0.42) SMN1; SMN2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL3574125 0.76 POLB (0.47) CYP2C19CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL8100592 0.74 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19FPR1CYP3A4CYP2C9
SCHEMBL3578218 0.73 POLB (0.54) CYP2C19CYP3A4CYP2C9ALDH1A1POLB
SCHEMBL3582004 0.69 CFD (0.40) CYP2C19CYP3A4CYP2C9ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 SMN1; SMN2 4872/4885CYP2C19 3214/4885FPR1 1720/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 SMN1; SMN2 4872/4885CYP2C19 3214/4885FPR1 1720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.